2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide

C14H13N5O4S — CID 168520143

IUPAC2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C14H13N5O4S/c1-23-14-13(16-8-9-17-14)19-24(21,22)11-4-2-10(3-5-11)18-12(20)6-7-15/h2-5,8-9H,6H2,1H3,(H,16,19)(H,18,20)
InChIKeyKCHXVCNPOWHKSD-UHFFFAOYSA-N
MW347.36 g/mol
LogP1.14
Rot. Bonds6

About 2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide

2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 168520143) has the molecular formula C14H13N5O4S and a molecular weight of 347.36 g/mol. Its IUPAC name is 2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID168520143
Molecular FormulaC14H13N5O4S
Molecular Weight347.36 g/mol
Exact Mass347.07
IUPAC Name2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C14H13N5O4S/c1-23-14-13(16-8-9-17-14)19-24(21,22)11-4-2-10(3-5-11)18-12(20)6-7-15/h2-5,8-9H,6H2,1H3,(H,16,19)(H,18,20)
InChIKeyKCHXVCNPOWHKSD-UHFFFAOYSA-N
XLogP1.14
TPSA134.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782625
1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 3424492
2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782757
3-(2-chlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]propanamide
CID 54783023
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 54783017
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 1040639
2-(4-chloro-3-methylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782740
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide
CID 54782935
2-methoxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 3563880
N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-methylpropanamide
CID 54783157
2-chloro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 22693790
4-[bis(2-chloroethyl)sulfamoyl]-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 86809401

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide (CID 168520143) is 2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide is COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is KCHXVCNPOWHKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O4S/c1-23-14-13(16-8-9-17-14)19-24(21,22)11-4-2-10(3-5-11)18-12(20)6-7-15/h2-5,8-9H,6H2,1H3,(H,16,19)(H,18,20).
What are the key properties of 2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 347.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 168520143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).